Sm2Mg3Ni2
Alexandria ALEXAlex-ID: agm009353609 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_1732_spg12
SmMg2Ni Sm2MgNi2
2025-01-15 02:40:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009353609).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm009353609
data_agm009353609
_cell_length_a 6.57229
_cell_length_b 6.57229
_cell_length_c 7.40390
_cell_angle_alpha 61.84196
_cell_angle_beta 118.15804
_cell_angle_gamma 146.03596
_cell_volume 155.40546
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sm1 Sm 0.62430 0.37570 0.25272 1.00000
Sm2 Sm 0.37570 0.62430 0.74728 1.00000
Mg1 Mg 0.32221 0.67779 0.17595 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.67779 0.32221 0.82405 1.00000
Ni1 Ni 0.06919 0.93081 0.92355 1.00000
Ni2 Ni 0.93081 0.06919 0.07645 1.00000
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